B4K1NP
  -OEChem-04012113543D

 21 22  0     0  0  0  0  0  0999 V2000
    1.3821   -2.8203   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158   -0.9788   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    1.0923   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1569   -0.3170   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9915    1.8035    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568   -1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577    1.7504   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014    1.1243    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -0.3689    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422    1.0195    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -1.0271    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955    2.8911    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    2.8370   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    1.6686    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5248   -0.9268    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    1.5317    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -2.1050   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0240   -0.7899    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0250   -0.7890   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -2.9966   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

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